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Substance Name: 2H-Thiopyranium, tetrahydro-4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-1-ylidene)-1-methyl-,iodide
RN: 116197-00-3
InChIKey: QSBCEKAOZFSECQ-PLMZOXRSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-S2.I

Molecular Weight

  • 466.4447
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide

Systematic Name

  • 2H-Thiopyranium, tetrahydro-4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-1-ylidene)-1-methyl-,iodide

Registry Numbers

CAS Registry Number

  • 116197-00-3

System Generated Number

  • 0116197003

Molecular Formulas

Molecular Formula

  • C21-H23-S2.I

Molecular Formula Fragments

  • C21-H23-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H23S2.HI/c1-15-7-8-20-19(13-15)21(16-9-11-23(2)12-10-16)18-6-4-3-5-17(18)14-22-20;/h3-8,13H,9-12,14H2,1-2H3;1H/q+1;/p-1/b21-16-;

InChIKey

QSBCEKAOZFSECQ-PLMZOXRSSA-M

Smiles

[I-].C[S+]1CCC(=C2c3ccccc3CSc4ccc(C)cc24)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 2758, 1987.